BindingDB logo
myBDB logout

BDBM204062 US9539260, D28::US9539260, D29::US9763952, Example D29

SMILES: COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOC3)cc12

InChI Key: InChIKey=GVHBGPPFSQLYGX-FZCLLLDFSA-N

Data: 8 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 8 hits for monomerid = 204062   
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))
BDBM204062
PNG
(US9539260, D28 | US9539260, D29 | US9763952, Examp...)
Show SMILES COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOC3)cc12
Show InChI InChI=1S/C24H26N4O5/c1-30-23-17(12-25)10-18(13-26-23)28-7-9-32-22-3-2-19(11-21(22)28)33-20-4-6-27(14-20)24(29)16-5-8-31-15-16/h2-3,10-11,13,16,20H,4-9,14-15H2,1H3/t16?,20-/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 411n/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


(Homo sapiens (Human))
BDBM204062
PNG
(US9539260, D28 | US9539260, D29 | US9763952, Examp...)
Show SMILES COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOC3)cc12
Show InChI InChI=1S/C24H26N4O5/c1-30-23-17(12-25)10-18(13-26-23)28-7-9-32-22-3-2-19(11-21(22)28)33-20-4-6-27(14-20)24(29)16-5-8-31-15-16/h2-3,10-11,13,16,20H,4-9,14-15H2,1H3/t16?,20-/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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM204062
PNG
(US9539260, D28 | US9539260, D29 | US9763952, Examp...)
Show SMILES COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOC3)cc12
Show InChI InChI=1S/C24H26N4O5/c1-30-23-17(12-25)10-18(13-26-23)28-7-9-32-22-3-2-19(11-21(22)28)33-20-4-6-27(14-20)24(29)16-5-8-31-15-16/h2-3,10-11,13,16,20H,4-9,14-15H2,1H3/t16?,20-/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 534n/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


(Homo sapiens (Human))
BDBM204062
PNG
(US9539260, D28 | US9539260, D29 | US9763952, Examp...)
Show SMILES COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOC3)cc12
Show InChI InChI=1S/C24H26N4O5/c1-30-23-17(12-25)10-18(13-26-23)28-7-9-32-22-3-2-19(11-21(22)28)33-20-4-6-27(14-20)24(29)16-5-8-31-15-16/h2-3,10-11,13,16,20H,4-9,14-15H2,1H3/t16?,20-/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/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/[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM204062
PNG
(US9539260, D28 | US9539260, D29 | US9763952, Examp...)
Show SMILES COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOC3)cc12
Show InChI InChI=1S/C24H26N4O5/c1-30-23-17(12-25)10-18(13-26-23)28-7-9-32-22-3-2-19(11-21(22)28)33-20-4-6-27(14-20)24(29)16-5-8-31-15-16/h2-3,10-11,13,16,20H,4-9,14-15H2,1H3/t16?,20-/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 411n/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


(Homo sapiens (Human))
BDBM204062
PNG
(US9539260, D28 | US9539260, D29 | US9763952, Examp...)
Show SMILES COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOC3)cc12
Show InChI InChI=1S/C24H26N4O5/c1-30-23-17(12-25)10-18(13-26-23)28-7-9-32-22-3-2-19(11-21(22)28)33-20-4-6-27(14-20)24(29)16-5-8-31-15-16/h2-3,10-11,13,16,20H,4-9,14-15H2,1H3/t16?,20-/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/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/[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM204062
PNG
(US9539260, D28 | US9539260, D29 | US9763952, Examp...)
Show SMILES COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOC3)cc12
Show InChI InChI=1S/C24H26N4O5/c1-30-23-17(12-25)10-18(13-26-23)28-7-9-32-22-3-2-19(11-21(22)28)33-20-4-6-27(14-20)24(29)16-5-8-31-15-16/h2-3,10-11,13,16,20H,4-9,14-15H2,1H3/t16?,20-/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 534n/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


(Homo sapiens (Human))
BDBM204062
PNG
(US9539260, D28 | US9539260, D29 | US9763952, Examp...)
Show SMILES COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOC3)cc12
Show InChI InChI=1S/C24H26N4O5/c1-30-23-17(12-25)10-18(13-26-23)28-7-9-32-22-3-2-19(11-21(22)28)33-20-4-6-27(14-20)24(29)16-5-8-31-15-16/h2-3,10-11,13,16,20H,4-9,14-15H2,1H3/t16?,20-/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