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BDBM50355693 CHEMBL1910999

SMILES: COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1

InChI Key: InChIKey=HQXHYGAANFLAOZ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50355693   
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))
BDBM50355693
PNG
(CHEMBL1910999)
Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C20H23F2N7O3/c1-30-14-4-2-3-13-15(14)23-17(16(21)22)29(13)20-25-18(27-5-9-31-10-6-27)24-19(26-20)28-7-11-32-12-8-28/h2-4,16H,5-12H2,1H3
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 55n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of PIK3CA-mediated cell signaling in PTEN-deficient human U87MG cells assessed as inhibition of insulin-induced pAkt/PKB phosphorylation a...


J Med Chem 54: 7105-26 (2011)


Article DOI: 10.1021/jm200688y
BindingDB Entry DOI: 10.7270/Q20P10FQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50355693
PNG
(CHEMBL1910999)
Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C20H23F2N7O3/c1-30-14-4-2-3-13-15(14)23-17(16(21)22)29(13)20-25-18(27-5-9-31-10-6-27)24-19(26-20)28-7-11-32-12-8-28/h2-4,16H,5-12H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 28n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of PIK3CA-mediated cell signaling in PTEN-deficient human U87MG cells assessed as inhibition of insulin-induced pAkt/PKB phosphorylation a...


J Med Chem 54: 7105-26 (2011)


Article DOI: 10.1021/jm200688y
BindingDB Entry DOI: 10.7270/Q20P10FQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50355693
PNG
(CHEMBL1910999)
Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C20H23F2N7O3/c1-30-14-4-2-3-13-15(14)23-17(16(21)22)29(13)20-25-18(27-5-9-31-10-6-27)24-19(26-20)28-7-11-32-12-8-28/h2-4,16H,5-12H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3K p110beta expressed in Sf21 insect cells using phosphatidylinositol as substrate after 1 hr by phosphoimaging


J Med Chem 54: 7105-26 (2011)


Article DOI: 10.1021/jm200688y
BindingDB Entry DOI: 10.7270/Q20P10FQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (PI3K alpha)


(Mus musculus (Mouse))
BDBM50355693
PNG
(CHEMBL1910999)
Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C20H23F2N7O3/c1-30-14-4-2-3-13-15(14)23-17(16(21)22)29(13)20-25-18(27-5-9-31-10-6-27)24-19(26-20)28-7-11-32-12-8-28/h2-4,16H,5-12H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.70n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant PI3K p110alpha expressed in Sf21 insect cells using phosphatidylinositol as substrate after 1 hr by phosphoimaging


J Med Chem 54: 7105-26 (2011)


Article DOI: 10.1021/jm200688y
BindingDB Entry DOI: 10.7270/Q20P10FQ
More data for this
Ligand-Target Pair