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Compile Data Set for Download or QSAR

Found 7 hits of ic50 for monomerid = 119288   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM119288
PNG
(US8673906, 4.07 | US9718800, 4.07)
Show SMILES CC(Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)CCO
Show InChI InChI=1S/C25H27F2N3O5/c1-15(28-19-12-17(26)11-18(27)13-19)20-9-16(25(33)29(2)3-6-31)10-21-22(32)14-23(35-24(20)21)30-4-7-34-8-5-30/h9-15,28,31H,3-8H2,1-2H3
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US Patent
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))
BDBM119288
PNG
(US8673906, 4.07 | US9718800, 4.07)
Show SMILES CC(Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)CCO
Show InChI InChI=1S/C25H27F2N3O5/c1-15(28-19-12-17(26)11-18(27)13-19)20-9-16(25(33)29(2)3-6-31)10-21-22(32)14-23(35-24(20)21)30-4-7-34-8-5-30/h9-15,28,31H,3-8H2,1-2H3
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US Patent
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))
BDBM119288
PNG
(US8673906, 4.07 | US9718800, 4.07)
Show SMILES CC(Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)CCO
Show InChI InChI=1S/C25H27F2N3O5/c1-15(28-19-12-17(26)11-18(27)13-19)20-9-16(25(33)29(2)3-6-31)10-21-22(32)14-23(35-24(20)21)30-4-7-34-8-5-30/h9-15,28,31H,3-8H2,1-2H3
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Article
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n/an/a 10n/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 beta isoform


(Homo sapiens (Human))
BDBM119288
PNG
(US8673906, 4.07 | US9718800, 4.07)
Show SMILES CC(Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)CCO
Show InChI InChI=1S/C25H27F2N3O5/c1-15(28-19-12-17(26)11-18(27)13-19)20-9-16(25(33)29(2)3-6-31)10-21-22(32)14-23(35-24(20)21)30-4-7-34-8-5-30/h9-15,28,31H,3-8H2,1-2H3
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n/an/a 15n/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 delta isoform


(Homo sapiens (Human))
BDBM119288
PNG
(US8673906, 4.07 | US9718800, 4.07)
Show SMILES CC(Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)CCO
Show InChI InChI=1S/C25H27F2N3O5/c1-15(28-19-12-17(26)11-18(27)13-19)20-9-16(25(33)29(2)3-6-31)10-21-22(32)14-23(35-24(20)21)30-4-7-34-8-5-30/h9-15,28,31H,3-8H2,1-2H3
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n/an/a 62n/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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM119288
PNG
(US8673906, 4.07 | US9718800, 4.07)
Show SMILES CC(Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)CCO
Show InChI InChI=1S/C25H27F2N3O5/c1-15(28-19-12-17(26)11-18(27)13-19)20-9-16(25(33)29(2)3-6-31)10-21-22(32)14-23(35-24(20)21)30-4-7-34-8-5-30/h9-15,28,31H,3-8H2,1-2H3
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n/an/a 90n/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 gamma isoform


(Homo sapiens (Human))
BDBM119288
PNG
(US8673906, 4.07 | US9718800, 4.07)
Show SMILES CC(Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)CCO
Show InChI InChI=1S/C25H27F2N3O5/c1-15(28-19-12-17(26)11-18(27)13-19)20-9-16(25(33)29(2)3-6-31)10-21-22(32)14-23(35-24(20)21)30-4-7-34-8-5-30/h9-15,28,31H,3-8H2,1-2H3
PDB
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Article
PubMed
n/an/a 530n/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