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BDBM50355692 CHEMBL1911002

SMILES: FC(F)Oc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1

InChI Key: InChIKey=PJLRZCKJQYTSNY-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50355692   
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))
BDBM50355692
PNG
(CHEMBL1911002)
Show SMILES FC(F)Oc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C20H21F4N7O3/c21-15(22)16-25-14-12(2-1-3-13(14)34-17(23)24)31(16)20-27-18(29-4-8-32-9-5-29)26-19(28-20)30-6-10-33-11-7-30/h1-3,15,17H,4-11H2
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Article
PubMed
n/an/a 427n/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 (PI3K alpha)


(Mus musculus (Mouse))
BDBM50355692
PNG
(CHEMBL1911002)
Show SMILES FC(F)Oc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C20H21F4N7O3/c21-15(22)16-25-14-12(2-1-3-13(14)34-17(23)24)31(16)20-27-18(29-4-8-32-9-5-29)26-19(28-20)30-6-10-33-11-7-30/h1-3,15,17H,4-11H2
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 26n/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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50355692
PNG
(CHEMBL1911002)
Show SMILES FC(F)Oc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C20H21F4N7O3/c21-15(22)16-25-14-12(2-1-3-13(14)34-17(23)24)31(16)20-27-18(29-4-8-32-9-5-29)26-19(28-20)30-6-10-33-11-7-30/h1-3,15,17H,4-11H2
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Article
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n/an/a 418n/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))
BDBM50355692
PNG
(CHEMBL1911002)
Show SMILES FC(F)Oc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C20H21F4N7O3/c21-15(22)16-25-14-12(2-1-3-13(14)34-17(23)24)31(16)20-27-18(29-4-8-32-9-5-29)26-19(28-20)30-6-10-33-11-7-30/h1-3,15,17H,4-11H2
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n/an/a 4.70n/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 delta isoform


(Homo sapiens (Human))
BDBM50355692
PNG
(CHEMBL1911002)
Show SMILES FC(F)Oc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C20H21F4N7O3/c21-15(22)16-25-14-12(2-1-3-13(14)34-17(23)24)31(16)20-27-18(29-4-8-32-9-5-29)26-19(28-20)30-6-10-33-11-7-30/h1-3,15,17H,4-11H2
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Article
PubMed
n/an/a 34n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged PI3K p110delta after 2 hrs by HTRF assay


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 gamma isoform


(Homo sapiens (Human))
BDBM50355692
PNG
(CHEMBL1911002)
Show SMILES FC(F)Oc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C20H21F4N7O3/c21-15(22)16-25-14-12(2-1-3-13(14)34-17(23)24)31(16)20-27-18(29-4-8-32-9-5-29)26-19(28-20)30-6-10-33-11-7-30/h1-3,15,17H,4-11H2
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PC sid
UniChem

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Article
PubMed
n/an/a 56n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged PI3K p110gamma after 2 hrs by HTRF assay


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))
BDBM50355692
PNG
(CHEMBL1911002)
Show SMILES FC(F)Oc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C20H21F4N7O3/c21-15(22)16-25-14-12(2-1-3-13(14)34-17(23)24)31(16)20-27-18(29-4-8-32-9-5-29)26-19(28-20)30-6-10-33-11-7-30/h1-3,15,17H,4-11H2
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n/an/a>2.50E+3n/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 beta isoform


(Homo sapiens (Human))
BDBM50355692
PNG
(CHEMBL1911002)
Show SMILES FC(F)Oc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C20H21F4N7O3/c21-15(22)16-25-14-12(2-1-3-13(14)34-17(23)24)31(16)20-27-18(29-4-8-32-9-5-29)26-19(28-20)30-6-10-33-11-7-30/h1-3,15,17H,4-11H2
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UniChem

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Article
PubMed
n/an/a 56n/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