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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 = 'BDBM203662'   
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))
BDBM203662
PNG
(US9539260, B109 | US9763952, Example B109)
Show SMILES COc1ncc(cc1Cl)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)CC#N)cc12
Show InChI InChI=1S/C21H21ClN4O4/c1-28-21-17(22)10-14(12-24-21)26-8-9-29-19-3-2-15(11-18(19)26)30-16-5-7-25(13-16)20(27)4-6-23/h2-3,10-12,16H,4-5,7-9,13H2,1H3/t16-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
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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))
BDBM203662
PNG
(US9539260, B109 | US9763952, Example B109)
Show SMILES COc1ncc(cc1Cl)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)CC#N)cc12
Show InChI InChI=1S/C21H21ClN4O4/c1-28-21-17(22)10-14(12-24-21)26-8-9-29-19-3-2-15(11-18(19)26)30-16-5-7-25(13-16)20(27)4-6-23/h2-3,10-12,16H,4-5,7-9,13H2,1H3/t16-/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