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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 = 'BDBM377028'   
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))
BDBM377028
PNG
(US10259818, Example 10 | US9944646, Example 10)
Show SMILES CC(C)N1CCOc2c(cc(Cl)c(C)c2C1)C(C)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C21H27ClN6O/c1-11(2)27-6-7-29-19-15(8-17(22)12(3)16(19)9-27)14(5)28-21-18(13(4)26-28)20(23)24-10-25-21/h8,10-11,14H,6-7,9H2,1-5H3,(H2,23,24,25)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM377028
PNG
(US10259818, Example 10 | US9944646, Example 10)
Show SMILES CC(C)N1CCOc2c(cc(Cl)c(C)c2C1)C(C)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C21H27ClN6O/c1-11(2)27-6-7-29-19-15(8-17(22)12(3)16(19)9-27)14(5)28-21-18(13(4)26-28)20(23)24-10-25-21/h8,10-11,14H,6-7,9H2,1-5H3,(H2,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
Lipid kinase substrate, phosphoinositol-4,5-bisphosphate (PIP2), are purchased from Echelon Biosciences (Salt Lake City, Utah). PI3K isoforms α,...


Bioorg Med Chem Lett 19: 1155-8 (2009)


BindingDB Entry DOI: 10.7270/Q2PG1V28
More data for this
Ligand-Target Pair