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BDBM204009 US9539260, D13

SMILES: COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCCCC3)cc12

InChI Key: InChIKey=AWYOTEQYMRMTQW-QFIPXVFZSA-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 = 204009   
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))
BDBM204009
PNG
(US9539260, D13)
Show SMILES COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCCCC3)cc12
Show InChI InChI=1S/C26H30N4O4/c1-32-25-19(15-27)13-20(16-28-25)30-11-12-33-24-8-7-21(14-23(24)30)34-22-9-10-29(17-22)26(31)18-5-3-2-4-6-18/h7-8,13-14,16,18,22H,2-6,9-12,17H2,1H3/t22-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM204009
PNG
(US9539260, D13)
Show SMILES COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCCCC3)cc12
Show InChI InChI=1S/C26H30N4O4/c1-32-25-19(15-27)13-20(16-28-25)30-11-12-33-24-8-7-21(14-23(24)30)34-22-9-10-29(17-22)26(31)18-5-3-2-4-6-18/h7-8,13-14,16,18,22H,2-6,9-12,17H2,1H3/t22-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 522n/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