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BDBM50448089 CHEMBL3121319

SMILES: COc1ncc(cc1NS(=O)(=O)c1ccccc1C)-c1ccc2nc(N)n(-c3ccccc3)c(=O)c2c1

InChI Key: InChIKey=FEXTUSFUMVYBFH-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 = 50448089   
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))
BDBM50448089
PNG
(CHEMBL3121319)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccccc1C)-c1ccc2nc(N)n(-c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C27H23N5O4S/c1-17-8-6-7-11-24(17)37(34,35)31-23-15-19(16-29-25(23)36-2)18-12-13-22-21(14-18)26(33)32(27(28)30-22)20-9-4-3-5-10-20/h3-16,31H,1-2H3,(H2,28,30)
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 40n/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))
BDBM50448089
PNG
(CHEMBL3121319)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccccc1C)-c1ccc2nc(N)n(-c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C27H23N5O4S/c1-17-8-6-7-11-24(17)37(34,35)31-23-15-19(16-29-25(23)36-2)18-12-13-22-21(14-18)26(33)32(27(28)30-22)20-9-4-3-5-10-20/h3-16,31H,1-2H3,(H2,28,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/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