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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform' and Ligand = 'BDBM203908'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM203908
PNG
(US9539260, C24 | US9539260, C25 | US9763952, Examp...)
Show SMILES COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3COCCO3)cc12
Show InChI InChI=1S/C24H26N4O6/c1-30-23-16(12-25)10-17(13-26-23)28-6-7-32-21-3-2-18(11-20(21)28)34-19-4-5-27(14-19)24(29)22-15-31-8-9-33-22/h2-3,10-11,13,19,22H,4-9,14-15H2,1H3/t19-,22?/m0/s1
PDB
MMDB

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B.MOAD
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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 delta isoform


(Homo sapiens (Human))
BDBM203908
PNG
(US9539260, C24 | US9539260, C25 | US9763952, Examp...)
Show SMILES COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3COCCO3)cc12
Show InChI InChI=1S/C24H26N4O6/c1-30-23-16(12-25)10-17(13-26-23)28-6-7-32-21-3-2-18(11-20(21)28)34-19-4-5-27(14-19)24(29)22-15-31-8-9-33-22/h2-3,10-11,13,19,22H,4-9,14-15H2,1H3/t19-,22?/m0/s1
PDB
MMDB

NCI pathway
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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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM203908
PNG
(US9539260, C24 | US9539260, C25 | US9763952, Examp...)
Show SMILES COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3COCCO3)cc12
Show InChI InChI=1S/C24H26N4O6/c1-30-23-16(12-25)10-17(13-26-23)28-6-7-32-21-3-2-18(11-20(21)28)34-19-4-5-27(14-19)24(29)22-15-31-8-9-33-22/h2-3,10-11,13,19,22H,4-9,14-15H2,1H3/t19-,22?/m0/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 12.5n/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 delta isoform


(Homo sapiens (Human))
BDBM203908
PNG
(US9539260, C24 | US9539260, C25 | US9763952, Examp...)
Show SMILES COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3COCCO3)cc12
Show InChI InChI=1S/C24H26N4O6/c1-30-23-16(12-25)10-17(13-26-23)28-6-7-32-21-3-2-18(11-20(21)28)34-19-4-5-27(14-19)24(29)22-15-31-8-9-33-22/h2-3,10-11,13,19,22H,4-9,14-15H2,1H3/t19-,22?/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 12.5n/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