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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 = 'BDBM119305'   
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))
BDBM119305
PNG
(US8673906, 4.24 | US9718800, 4.24)
Show SMILES COCCN(C)C(=O)c1cc(C(C)Nc2cc(F)cc(F)c2)c2oc(cc(=O)c2c1)N1CCOCC1
Show InChI InChI=1S/C26H29F2N3O5/c1-16(29-20-13-18(27)12-19(28)14-20)21-10-17(26(33)30(2)4-7-34-3)11-22-23(32)15-24(36-25(21)22)31-5-8-35-9-6-31/h10-16,29H,4-9H2,1-3H3
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

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))
BDBM119305
PNG
(US8673906, 4.24 | US9718800, 4.24)
Show SMILES COCCN(C)C(=O)c1cc(C(C)Nc2cc(F)cc(F)c2)c2oc(cc(=O)c2c1)N1CCOCC1
Show InChI InChI=1S/C26H29F2N3O5/c1-16(29-20-13-18(27)12-19(28)14-20)21-10-17(26(33)30(2)4-7-34-3)11-22-23(32)15-24(36-25(21)22)31-5-8-35-9-6-31/h10-16,29H,4-9H2,1-3H3
PDB
MMDB

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UniProtKB/SwissProt

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GoogleScholar
PC cid
PC sid
UniChem

Similars

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))
BDBM119305
PNG
(US8673906, 4.24 | US9718800, 4.24)
Show SMILES COCCN(C)C(=O)c1cc(C(C)Nc2cc(F)cc(F)c2)c2oc(cc(=O)c2c1)N1CCOCC1
Show InChI InChI=1S/C26H29F2N3O5/c1-16(29-20-13-18(27)12-19(28)14-20)21-10-17(26(33)30(2)4-7-34-3)11-22-23(32)15-24(36-25(21)22)31-5-8-35-9-6-31/h10-16,29H,4-9H2,1-3H3
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

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))
BDBM119305
PNG
(US8673906, 4.24 | US9718800, 4.24)
Show SMILES COCCN(C)C(=O)c1cc(C(C)Nc2cc(F)cc(F)c2)c2oc(cc(=O)c2c1)N1CCOCC1
Show InChI InChI=1S/C26H29F2N3O5/c1-16(29-20-13-18(27)12-19(28)14-20)21-10-17(26(33)30(2)4-7-34-3)11-22-23(32)15-24(36-25(21)22)31-5-8-35-9-6-31/h10-16,29H,4-9H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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