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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform' and Ligand = 'BDBM119260'   
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))
BDBM119260
PNG
(US8673906, 3.2 | US9718800, 3.20)
Show SMILES CC(Nc1cccc(c1)C#C)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C
Show InChI InChI=1S/C26H27N3O4/c1-5-18-7-6-8-20(13-18)27-17(2)21-14-19(26(31)28(3)4)15-22-23(30)16-24(33-25(21)22)29-9-11-32-12-10-29/h1,6-8,13-17,27H,9-12H2,2-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 5n/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))
BDBM119260
PNG
(US8673906, 3.2 | US9718800, 3.20)
Show SMILES CC(Nc1cccc(c1)C#C)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C
Show InChI InChI=1S/C26H27N3O4/c1-5-18-7-6-8-20(13-18)27-17(2)21-14-19(26(31)28(3)4)15-22-23(30)16-24(33-25(21)22)29-9-11-32-12-10-29/h1,6-8,13-17,27H,9-12H2,2-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 5n/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