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BDBM203415 US9539260, B71::US9763952, Example B71

SMILES: CS(=O)(=O)c1ncc(cc1CF)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12

InChI Key: InChIKey=UESMRHDKASVKQQ-NRFANRHFSA-N

Data: 4 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 203415   
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))
BDBM203415
PNG
(US9539260, B71 | US9763952, Example B71)
Show SMILES CS(=O)(=O)c1ncc(cc1CF)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12 |r|
Show InChI InChI=1S/C25H30FN3O6S/c1-36(31,32)24-18(14-26)12-19(15-27-24)29-8-11-34-23-3-2-20(13-22(23)29)35-21-4-7-28(16-21)25(30)17-5-9-33-10-6-17/h2-3,12-13,15,17,21H,4-11,14,16H2,1H3/t21-/m0/s1
PDB
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PC cid
PC sid
UniChem
US Patent
n/an/a 360n/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))
BDBM203415
PNG
(US9539260, B71 | US9763952, Example B71)
Show SMILES CS(=O)(=O)c1ncc(cc1CF)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12 |r|
Show InChI InChI=1S/C25H30FN3O6S/c1-36(31,32)24-18(14-26)12-19(15-27-24)29-8-11-34-23-3-2-20(13-22(23)29)35-21-4-7-28(16-21)25(30)17-5-9-33-10-6-17/h2-3,12-13,15,17,21H,4-11,14,16H2,1H3/t21-/m0/s1
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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



NOVARTIS AG

US Patent




US Patent US9763952 (2017)


BindingDB Entry DOI: 10.7270/Q2V40X9Z
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM203415
PNG
(US9539260, B71 | US9763952, Example B71)
Show SMILES CS(=O)(=O)c1ncc(cc1CF)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12 |r|
Show InChI InChI=1S/C25H30FN3O6S/c1-36(31,32)24-18(14-26)12-19(15-27-24)29-8-11-34-23-3-2-20(13-22(23)29)35-21-4-7-28(16-21)25(30)17-5-9-33-10-6-17/h2-3,12-13,15,17,21H,4-11,14,16H2,1H3/t21-/m0/s1
PDB
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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 360n/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)


BindingDB Entry DOI: 10.7270/Q2V40X9Z
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM203415
PNG
(US9539260, B71 | US9763952, Example B71)
Show SMILES CS(=O)(=O)c1ncc(cc1CF)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12 |r|
Show InChI InChI=1S/C25H30FN3O6S/c1-36(31,32)24-18(14-26)12-19(15-27-24)29-8-11-34-23-3-2-20(13-22(23)29)35-21-4-7-28(16-21)25(30)17-5-9-33-10-6-17/h2-3,12-13,15,17,21H,4-11,14,16H2,1H3/t21-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/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