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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform' and Ligand = 'BDBM202490'   
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))
BDBM202490
PNG
(US9539260, A3 | US9763952, Example A3)
Show SMILES O=C(C1CCOCC1)N1CC[C@@H](C1)Oc1ccc2OCCN(c3cncc(c3)S(=O)(=O)N3CCOCC3)c2c1
Show InChI InChI=1S/C27H34N4O7S/c32-27(20-4-10-35-11-5-20)29-6-3-23(19-29)38-22-1-2-26-25(16-22)31(9-14-37-26)21-15-24(18-28-17-21)39(33,34)30-7-12-36-13-8-30/h1-2,15-18,20,23H,3-14,19H2/t23-/m0/s1
PDB
MMDB

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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/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))
BDBM202490
PNG
(US9539260, A3 | US9763952, Example A3)
Show SMILES O=C(C1CCOCC1)N1CC[C@@H](C1)Oc1ccc2OCCN(c3cncc(c3)S(=O)(=O)N3CCOCC3)c2c1
Show InChI InChI=1S/C27H34N4O7S/c32-27(20-4-10-35-11-5-20)29-6-3-23(19-29)38-22-1-2-26-25(16-22)31(9-14-37-26)21-15-24(18-28-17-21)39(33,34)30-7-12-36-13-8-30/h1-2,15-18,20,23H,3-14,19H2/t23-/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