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BDBM204077 US9539260, E3::US9763952, Example E3

SMILES: COc1ncc(cc1C)N1CCOc2cnc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12

InChI Key: InChIKey=YFOWBTCQDNQOEJ-IBGZPJMESA-N

Data: 4 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 4 hits for monomerid = 204077   
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 alpha isoform


(Homo sapiens (Human))
BDBM204077
PNG
(US9539260, E3 | US9763952, Example E3)
Show SMILES COc1ncc(cc1C)N1CCOc2cnc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12
Show InChI InChI=1S/C24H30N4O5/c1-16-11-18(13-26-23(16)30-2)28-7-10-32-21-14-25-22(12-20(21)28)33-19-3-6-27(15-19)24(29)17-4-8-31-9-5-17/h11-14,17,19H,3-10,15H2,1-2H3/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 494n/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 delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM204077
PNG
(US9539260, E3 | US9763952, Example E3)
Show SMILES COc1ncc(cc1C)N1CCOc2cnc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12
Show InChI InChI=1S/C24H30N4O5/c1-16-11-18(13-26-23(16)30-2)28-7-10-32-21-14-25-22(12-20(21)28)33-19-3-6-27(15-19)24(29)17-4-8-31-9-5-17/h11-14,17,19H,3-10,15H2,1-2H3/t19-/m0/s1
PDB
MMDB

NCI pathway
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UniProtKB/SwissProt

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GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<3n/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 alpha isoform


(Homo sapiens (Human))
BDBM204077
PNG
(US9539260, E3 | US9763952, Example E3)
Show SMILES COc1ncc(cc1C)N1CCOc2cnc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12
Show InChI InChI=1S/C24H30N4O5/c1-16-11-18(13-26-23(16)30-2)28-7-10-32-21-14-25-22(12-20(21)28)33-19-3-6-27(15-19)24(29)17-4-8-31-9-5-17/h11-14,17,19H,3-10,15H2,1-2H3/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 494n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and p...


US Patent US9763952 (2017)

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


(Homo sapiens (Human))
BDBM204077
PNG
(US9539260, E3 | US9763952, Example E3)
Show SMILES COc1ncc(cc1C)N1CCOc2cnc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12
Show InChI InChI=1S/C24H30N4O5/c1-16-11-18(13-26-23(16)30-2)28-7-10-32-21-14-25-22(12-20(21)28)33-19-3-6-27(15-19)24(29)17-4-8-31-9-5-17/h11-14,17,19H,3-10,15H2,1-2H3/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<3n/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