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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 = 'BDBM204118'   
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))
BDBM204118
PNG
(US9539260, I3 | US9763952, Example I3)
Show SMILES Cc1cc(cnc1S(C)(=O)=O)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)c(F)c12
Show InChI InChI=1S/C25H30FN3O6S/c1-16-13-18(14-27-24(16)36(2,31)32)29-9-12-34-21-4-3-20(22(26)23(21)29)35-19-5-8-28(15-19)25(30)17-6-10-33-11-7-17/h3-4,13-14,17,19H,5-12,15H2,1-2H3/t19-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6n/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))
BDBM204118
PNG
(US9539260, I3 | US9763952, Example I3)
Show SMILES Cc1cc(cnc1S(C)(=O)=O)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)c(F)c12
Show InChI InChI=1S/C25H30FN3O6S/c1-16-13-18(14-27-24(16)36(2,31)32)29-9-12-34-21-4-3-20(22(26)23(21)29)35-19-5-8-28(15-19)25(30)17-6-10-33-11-7-17/h3-4,13-14,17,19H,5-12,15H2,1-2H3/t19-/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 6n/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