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BDBM50426799 CHEMBL2322771

SMILES: CN(C(=O)c1cc2CCOc3ccccc3-c2s1)c1ccc(F)cc1F

InChI Key: InChIKey=LTFMGVLICZZZOJ-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 = 50426799   
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 alpha isoform


(Homo sapiens (Human))
BDBM50426799
PNG
(CHEMBL2322771)
Show SMILES CN(C(=O)c1cc2CCOc3ccccc3-c2s1)c1ccc(F)cc1F
Show InChI InChI=1S/C20H15F2NO2S/c1-23(16-7-6-13(21)11-15(16)22)20(24)18-10-12-8-9-25-17-5-3-2-4-14(17)19(12)26-18/h2-7,10-11H,8-9H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated AKT Ser 473 phosphorylation in human PC3 cells


Bioorg Med Chem Lett 23: 897-901 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.121
BindingDB Entry DOI: 10.7270/Q21C1Z5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50426799
PNG
(CHEMBL2322771)
Show SMILES CN(C(=O)c1cc2CCOc3ccccc3-c2s1)c1ccc(F)cc1F
Show InChI InChI=1S/C20H15F2NO2S/c1-23(16-7-6-13(21)11-15(16)22)20(24)18-10-12-8-9-25-17-5-3-2-4-14(17)19(12)26-18/h2-7,10-11H,8-9H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 52n/an/an/an/an/an/a



Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin)-mediated 3,4,5-inositoltriphosphate formation after 30 mins by TAMRA-PIP3-based competitive fluo...


Bioorg Med Chem Lett 23: 897-901 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.121
BindingDB Entry DOI: 10.7270/Q21C1Z5X
More data for this
Ligand-Target Pair