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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 delta isoform' and Ligand = 'BDBM204091'   
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 delta isoform


(Homo sapiens (Human))
BDBM204091
PNG
(US9539260, F8 | US9763952, Example F8)
Show SMILES COc1ncc(cc1C(F)F)N1CCOc2cnc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12
Show InChI InChI=1S/C24H28F2N4O5/c1-32-23-18(22(25)26)10-16(12-28-23)30-6-9-34-20-13-27-21(11-19(20)30)35-17-2-5-29(14-17)24(31)15-3-7-33-8-4-15/h10-13,15,17,22H,2-9,14H2,1H3/t17-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/an/an/an/an/an/a



NOVARTIS AG

US Patent




US Patent US9763952 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM204091
PNG
(US9539260, F8 | US9763952, Example F8)
Show SMILES COc1ncc(cc1C(F)F)N1CCOc2cnc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12
Show InChI InChI=1S/C24H28F2N4O5/c1-32-23-18(22(25)26)10-16(12-28-23)30-6-9-34-20-13-27-21(11-19(20)30)35-17-2-5-29(14-17)24(31)15-3-7-33-8-4-15/h10-13,15,17,22H,2-9,14H2,1H3/t17-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
Determination of Enzymatic PI3K Alpha and PI3K Delta Isoform Inhibition1.1 Test of Lipid Kinase ActivityThe efficacy of the compounds of examples 1-1...


US Patent US9539260 (2017)


BindingDB Entry DOI: 10.7270/Q2W37TH1
More data for this
Ligand-Target Pair