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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 alpha isoform' and Ligand = 'BDBM50427485'   
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 alpha isoform


(Homo sapiens (Human))
BDBM50427485
PNG
(CHEMBL2326959 | US10308662, Compound 120 | US95057...)
Show SMILES O=C(Nc1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1)c1ccncc1
Show InChI InChI=1S/C23H19N3O4S/c27-19-13-20(26-9-11-29-12-10-26)30-21-18(14-31-22(19)21)15-1-3-17(4-2-15)25-23(28)16-5-7-24-8-6-16/h1-8,13-14H,9-12H2,(H,25,28)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 14n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha (unknown origin)


J Med Chem 56: 1922-39 (2013)


Article DOI: 10.1021/jm301522m
BindingDB Entry DOI: 10.7270/Q2Z89DR9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50427485
PNG
(CHEMBL2326959 | US10308662, Compound 120 | US95057...)
Show SMILES O=C(Nc1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1)c1ccncc1
Show InChI InChI=1S/C23H19N3O4S/c27-19-13-20(26-9-11-29-12-10-26)30-21-18(14-31-22(19)21)15-1-3-17(4-2-15)25-23(28)16-5-7-24-8-6-16/h1-8,13-14H,9-12H2,(H,25,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 95n/an/an/an/an/an/a



SignalRx Pharmaceuticals, Inc.

US Patent


Assay Description
Several TP Scaffold compounds were tested for inhibition activity against isoforms of PI3K (alpha, beta, gamma, and delta isoforms) and the bromodoma...


US Patent US9505780 (2016)


BindingDB Entry DOI: 10.7270/Q22B8WZ1
More data for this
Ligand-Target Pair