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BDBM202488 US9539260, A2

SMILES: CN(C)S(=O)(=O)c1cncc(c1)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12

InChI Key: InChIKey=NBEAXASRSRYCOC-NRFANRHFSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 202488   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM202488
PNG
(US9539260, A2)
Show SMILES CN(C)S(=O)(=O)c1cncc(c1)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12
Show InChI InChI=1S/C25H32N4O6S/c1-27(2)36(31,32)22-13-19(15-26-16-22)29-9-12-34-24-4-3-20(14-23(24)29)35-21-5-8-28(17-21)25(30)18-6-10-33-11-7-18/h3-4,13-16,18,21H,5-12,17H2,1-2H3/t21-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 6n/an/an/an/an/an/a



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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM202488
PNG
(US9539260, A2)
Show SMILES CN(C)S(=O)(=O)c1cncc(c1)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12
Show InChI InChI=1S/C25H32N4O6S/c1-27(2)36(31,32)22-13-19(15-26-16-22)29-9-12-34-24-4-3-20(14-23(24)29)35-21-5-8-28(17-21)25(30)18-6-10-33-11-7-18/h3-4,13-16,18,21H,5-12,17H2,1-2H3/t21-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 47n/an/an/an/an/an/a



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