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BDBM204106 US9539260, H7::US9539260, H8::US9763952, Example H8

SMILES: COc1cc(cnc1OC)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCCO3)cc12

InChI Key: InChIKey=HQSFYUYOXHQOJM-YMXDCFFPSA-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 = 204106   
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))
BDBM204106
PNG
(US9539260, H7 | US9539260, H8 | US9763952, Example...)
Show SMILES COc1cc(cnc1OC)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCCO3)cc12
Show InChI InChI=1S/C24H29N3O6/c1-29-22-12-16(14-25-23(22)30-2)27-9-11-32-20-6-5-17(13-19(20)27)33-18-7-8-26(15-18)24(28)21-4-3-10-31-21/h5-6,12-14,18,21H,3-4,7-11,15H2,1-2H3/t18-,21?/m0/s1
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PC cid
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n/an/a 703n/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))
BDBM204106
PNG
(US9539260, H7 | US9539260, H8 | US9763952, Example...)
Show SMILES COc1cc(cnc1OC)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCCO3)cc12
Show InChI InChI=1S/C24H29N3O6/c1-29-22-12-16(14-25-23(22)30-2)27-9-11-32-20-6-5-17(13-19(20)27)33-18-7-8-26(15-18)24(28)21-4-3-10-31-21/h5-6,12-14,18,21H,3-4,7-11,15H2,1-2H3/t18-,21?/m0/s1
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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))
BDBM204106
PNG
(US9539260, H7 | US9539260, H8 | US9763952, Example...)
Show SMILES COc1cc(cnc1OC)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCCO3)cc12
Show InChI InChI=1S/C24H29N3O6/c1-29-22-12-16(14-25-23(22)30-2)27-9-11-32-20-6-5-17(13-19(20)27)33-18-7-8-26(15-18)24(28)21-4-3-10-31-21/h5-6,12-14,18,21H,3-4,7-11,15H2,1-2H3/t18-,21?/m0/s1
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n/an/a 521n/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))
BDBM204106
PNG
(US9539260, H7 | US9539260, H8 | US9763952, Example...)
Show SMILES COc1cc(cnc1OC)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCCO3)cc12
Show InChI InChI=1S/C24H29N3O6/c1-29-22-12-16(14-25-23(22)30-2)27-9-11-32-20-6-5-17(13-19(20)27)33-18-7-8-26(15-18)24(28)21-4-3-10-31-21/h5-6,12-14,18,21H,3-4,7-11,15H2,1-2H3/t18-,21?/m0/s1
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n/an/a 7n/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))
BDBM204106
PNG
(US9539260, H7 | US9539260, H8 | US9763952, Example...)
Show SMILES COc1cc(cnc1OC)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCCO3)cc12
Show InChI InChI=1S/C24H29N3O6/c1-29-22-12-16(14-25-23(22)30-2)27-9-11-32-20-6-5-17(13-19(20)27)33-18-7-8-26(15-18)24(28)21-4-3-10-31-21/h5-6,12-14,18,21H,3-4,7-11,15H2,1-2H3/t18-,21?/m0/s1
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n/an/a 703n/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))
BDBM204106
PNG
(US9539260, H7 | US9539260, H8 | US9763952, Example...)
Show SMILES COc1cc(cnc1OC)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCCO3)cc12
Show InChI InChI=1S/C24H29N3O6/c1-29-22-12-16(14-25-23(22)30-2)27-9-11-32-20-6-5-17(13-19(20)27)33-18-7-8-26(15-18)24(28)21-4-3-10-31-21/h5-6,12-14,18,21H,3-4,7-11,15H2,1-2H3/t18-,21?/m0/s1
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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))
BDBM204106
PNG
(US9539260, H7 | US9539260, H8 | US9763952, Example...)
Show SMILES COc1cc(cnc1OC)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCCO3)cc12
Show InChI InChI=1S/C24H29N3O6/c1-29-22-12-16(14-25-23(22)30-2)27-9-11-32-20-6-5-17(13-19(20)27)33-18-7-8-26(15-18)24(28)21-4-3-10-31-21/h5-6,12-14,18,21H,3-4,7-11,15H2,1-2H3/t18-,21?/m0/s1
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n/an/a 521n/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))
BDBM204106
PNG
(US9539260, H7 | US9539260, H8 | US9763952, Example...)
Show SMILES COc1cc(cnc1OC)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCCO3)cc12
Show InChI InChI=1S/C24H29N3O6/c1-29-22-12-16(14-25-23(22)30-2)27-9-11-32-20-6-5-17(13-19(20)27)33-18-7-8-26(15-18)24(28)21-4-3-10-31-21/h5-6,12-14,18,21H,3-4,7-11,15H2,1-2H3/t18-,21?/m0/s1
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US Patent
n/an/a 7n/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