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BDBM119296 US8673906, 4.15::US9718800, 4.15

SMILES: COCCNC(=O)c1cc(C(C)Nc2cc(F)cc(F)c2)c2oc(cc(=O)c2c1)N1CCOCC1

InChI Key: InChIKey=OVRXDSQQCRJQMD-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 119296   
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))
BDBM119296
PNG
(US8673906, 4.15 | US9718800, 4.15)
Show SMILES COCCNC(=O)c1cc(C(C)Nc2cc(F)cc(F)c2)c2oc(cc(=O)c2c1)N1CCOCC1
Show InChI InChI=1S/C25H27F2N3O5/c1-15(29-19-12-17(26)11-18(27)13-19)20-9-16(25(32)28-3-6-33-2)10-21-22(31)14-23(35-24(20)21)30-4-7-34-8-5-30/h9-15,29H,3-8H2,1-2H3,(H,28,32)
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The inhibition of PI3Kβ, PI3Kα, PI3Kγ and PI3Kδ was evaluated in a Kinase Glo based enzyme activity assay using human recombinant...


US Patent US8673906 (2014)


BindingDB Entry DOI: 10.7270/Q2280682
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM119296
PNG
(US8673906, 4.15 | US9718800, 4.15)
Show SMILES COCCNC(=O)c1cc(C(C)Nc2cc(F)cc(F)c2)c2oc(cc(=O)c2c1)N1CCOCC1
Show InChI InChI=1S/C25H27F2N3O5/c1-15(29-19-12-17(26)11-18(27)13-19)20-9-16(25(32)28-3-6-33-2)10-21-22(31)14-23(35-24(20)21)30-4-7-34-8-5-30/h9-15,29H,3-8H2,1-2H3,(H,28,32)
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n/an/a 9n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kbeta using PIP2 by Kinase-Glo Plus assay


J Med Chem 58: 943-62 (2015)


Article DOI: 10.1021/jm501629p
BindingDB Entry DOI: 10.7270/Q2VT1TS8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM119296
PNG
(US8673906, 4.15 | US9718800, 4.15)
Show SMILES COCCNC(=O)c1cc(C(C)Nc2cc(F)cc(F)c2)c2oc(cc(=O)c2c1)N1CCOCC1
Show InChI InChI=1S/C25H27F2N3O5/c1-15(29-19-12-17(26)11-18(27)13-19)20-9-16(25(32)28-3-6-33-2)10-21-22(31)14-23(35-24(20)21)30-4-7-34-8-5-30/h9-15,29H,3-8H2,1-2H3,(H,28,32)
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n/an/a 520n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kgamma using PIP2 by Kinase-Glo Plus assay


J Med Chem 58: 943-62 (2015)


Article DOI: 10.1021/jm501629p
BindingDB Entry DOI: 10.7270/Q2VT1TS8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM119296
PNG
(US8673906, 4.15 | US9718800, 4.15)
Show SMILES COCCNC(=O)c1cc(C(C)Nc2cc(F)cc(F)c2)c2oc(cc(=O)c2c1)N1CCOCC1
Show InChI InChI=1S/C25H27F2N3O5/c1-15(29-19-12-17(26)11-18(27)13-19)20-9-16(25(32)28-3-6-33-2)10-21-22(31)14-23(35-24(20)21)30-4-7-34-8-5-30/h9-15,29H,3-8H2,1-2H3,(H,28,32)
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n/an/a 4n/an/an/an/an/a25



ASTRAZENECA AB

US Patent


Assay Description
Compounds in 100% DMSO were added to assay plates by acoustic dispensing. PI3Kβ was added in a Tris buffer (50 mM Tris pH7.4, 0.05% CHAPS, 2.1 m...


US Patent US9718800 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM119296
PNG
(US8673906, 4.15 | US9718800, 4.15)
Show SMILES COCCNC(=O)c1cc(C(C)Nc2cc(F)cc(F)c2)c2oc(cc(=O)c2c1)N1CCOCC1
Show InChI InChI=1S/C25H27F2N3O5/c1-15(29-19-12-17(26)11-18(27)13-19)20-9-16(25(32)28-3-6-33-2)10-21-22(31)14-23(35-24(20)21)30-4-7-34-8-5-30/h9-15,29H,3-8H2,1-2H3,(H,28,32)
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n/an/a 31n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in PTEN-null human MDA-MB-468 cells assessed as inhibition of Akt phosphorylation after 2 hrs


J Med Chem 58: 943-62 (2015)


Article DOI: 10.1021/jm501629p
BindingDB Entry DOI: 10.7270/Q2VT1TS8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM119296
PNG
(US8673906, 4.15 | US9718800, 4.15)
Show SMILES COCCNC(=O)c1cc(C(C)Nc2cc(F)cc(F)c2)c2oc(cc(=O)c2c1)N1CCOCC1
Show InChI InChI=1S/C25H27F2N3O5/c1-15(29-19-12-17(26)11-18(27)13-19)20-9-16(25(32)28-3-6-33-2)10-21-22(31)14-23(35-24(20)21)30-4-7-34-8-5-30/h9-15,29H,3-8H2,1-2H3,(H,28,32)
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n/an/a 57n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kalpha using PIP2 by Kinase-Glo Plus assay


J Med Chem 58: 943-62 (2015)


Article DOI: 10.1021/jm501629p
BindingDB Entry DOI: 10.7270/Q2VT1TS8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM119296
PNG
(US8673906, 4.15 | US9718800, 4.15)
Show SMILES COCCNC(=O)c1cc(C(C)Nc2cc(F)cc(F)c2)c2oc(cc(=O)c2c1)N1CCOCC1
Show InChI InChI=1S/C25H27F2N3O5/c1-15(29-19-12-17(26)11-18(27)13-19)20-9-16(25(32)28-3-6-33-2)10-21-22(31)14-23(35-24(20)21)30-4-7-34-8-5-30/h9-15,29H,3-8H2,1-2H3,(H,28,32)
PDB
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Article
PubMed
n/an/a 54n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kdelta using PIP2 by Kinase-Glo Plus assay


J Med Chem 58: 943-62 (2015)


Article DOI: 10.1021/jm501629p
BindingDB Entry DOI: 10.7270/Q2VT1TS8
More data for this
Ligand-Target Pair