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SMILES: Cc1nn2c(cc(nc2=O)N2CCOCC2)n1Cc1cccc(c1C)C(F)(F)F

InChI Key: InChIKey=JOMBLYKPBRRQBY-UHFFFAOYSA-N

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 = 50381163   
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 beta isoform


(Homo sapiens (Human))
BDBM50381163
PNG
(CHEMBL2018361)
Show SMILES Cc1nn2c(cc(nc2=O)N2CCOCC2)n1Cc1cccc(c1C)C(F)(F)F
Show InChI InChI=1S/C19H20F3N5O2/c1-12-14(4-3-5-15(12)19(20,21)22)11-26-13(2)24-27-17(26)10-16(23-18(27)28)25-6-8-29-9-7-25/h3-5,10H,6-9,11H2,1-2H3
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 92n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PI3K beta-mediated AKT phosphorylation at serine 473 in PTEN deficient human MDA-MB-468 cells after 30 mins


Bioorg Med Chem Lett 22: 3198-202 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.039
BindingDB Entry DOI: 10.7270/Q2TD9ZBP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50381163
PNG
(CHEMBL2018361)
Show SMILES Cc1nn2c(cc(nc2=O)N2CCOCC2)n1Cc1cccc(c1C)C(F)(F)F
Show InChI InChI=1S/C19H20F3N5O2/c1-12-14(4-3-5-15(12)19(20,21)22)11-26-13(2)24-27-17(26)10-16(23-18(27)28)25-6-8-29-9-7-25/h3-5,10H,6-9,11H2,1-2H3
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 2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta by continuous read time resolved fluorescence resonance energy transfer displacement assay


Bioorg Med Chem Lett 22: 3198-202 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.039
BindingDB Entry DOI: 10.7270/Q2TD9ZBP
More data for this
Ligand-Target Pair