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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform' and Ligand = 'BDBM119290'   
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))
BDBM119290
PNG
(US8673906, 4.09 | US9718800, 4.09)
Show SMILES CC(Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCC(O)CC1
Show InChI InChI=1S/C27H29F2N3O5/c1-16(30-20-13-18(28)12-19(29)14-20)22-10-17(27(35)32-4-2-21(33)3-5-32)11-23-24(34)15-25(37-26(22)23)31-6-8-36-9-7-31/h10-16,21,30,33H,2-9H2,1H3
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PC sid
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Similars

US Patent
n/an/a 3n/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))
BDBM119290
PNG
(US8673906, 4.09 | US9718800, 4.09)
Show SMILES CC(Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCC(O)CC1
Show InChI InChI=1S/C27H29F2N3O5/c1-16(30-20-13-18(28)12-19(29)14-20)22-10-17(27(35)32-4-2-21(33)3-5-32)11-23-24(34)15-25(37-26(22)23)31-6-8-36-9-7-31/h10-16,21,30,33H,2-9H2,1H3
PDB
MMDB

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PC sid
UniChem

Similars

US Patent
n/an/a 3n/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))
BDBM119290
PNG
(US8673906, 4.09 | US9718800, 4.09)
Show SMILES CC(Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCC(O)CC1
Show InChI InChI=1S/C27H29F2N3O5/c1-16(30-20-13-18(28)12-19(29)14-20)22-10-17(27(35)32-4-2-21(33)3-5-32)11-23-24(34)15-25(37-26(22)23)31-6-8-36-9-7-31/h10-16,21,30,33H,2-9H2,1H3
PDB
MMDB

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PC sid
UniChem

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Article
PubMed
n/an/a 11n/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))
BDBM119290
PNG
(US8673906, 4.09 | US9718800, 4.09)
Show SMILES CC(Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCC(O)CC1
Show InChI InChI=1S/C27H29F2N3O5/c1-16(30-20-13-18(28)12-19(29)14-20)22-10-17(27(35)32-4-2-21(33)3-5-32)11-23-24(34)15-25(37-26(22)23)31-6-8-36-9-7-31/h10-16,21,30,33H,2-9H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 17n/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