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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 = 'BDBM50498566'   
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))
BDBM50498566
PNG
(CHEMBL3608925)
Show SMILES Cc1nc(NC(=O)N2CCC[C@@]2(C)C(N)=O)sc1-c1csc(n1)C1(CC1)C(F)(F)F |r|
Show InChI InChI=1S/C18H20F3N5O2S2/c1-9-11(10-8-29-13(24-10)17(5-6-17)18(19,20)21)30-14(23-9)25-15(28)26-7-3-4-16(26,2)12(22)27/h8H,3-7H2,1-2H3,(H2,22,27)(H,23,25,28)/t16-/m0/s1
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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin)


Bioorg Med Chem Lett 25: 3569-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.078
BindingDB Entry DOI: 10.7270/Q2W098XH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Rattus norvegicus (Rat))
BDBM50498566
PNG
(CHEMBL3608925)
Show SMILES Cc1nc(NC(=O)N2CCC[C@@]2(C)C(N)=O)sc1-c1csc(n1)C1(CC1)C(F)(F)F |r|
Show InChI InChI=1S/C18H20F3N5O2S2/c1-9-11(10-8-29-13(24-10)17(5-6-17)18(19,20)21)30-14(23-9)25-15(28)26-7-3-4-16(26,2)12(22)27/h8H,3-7H2,1-2H3,(H2,22,27)(H,23,25,28)/t16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in rat Rat1 cells assessed as reduction of Akt phosphorylation at Ser473 in presence of 0.5% fetal calf serum


Bioorg Med Chem Lett 25: 3569-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.078
BindingDB Entry DOI: 10.7270/Q2W098XH
More data for this
Ligand-Target Pair