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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 = 'BDBM261312'   
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))
BDBM261312
PNG
(US10092570, Example 341 | US9707233, 341 | US97309...)
Show SMILES CCOc1c(cc(Cl)c(C#N)c1N1CC(COC)C1)C(C)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C22H26ClN7O2/c1-5-32-20-15(13(3)30-22-18(12(2)28-30)21(25)26-11-27-22)6-17(23)16(7-24)19(20)29-8-14(9-29)10-31-4/h6,11,13-14H,5,8-10H2,1-4H3,(H2,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Incyte Holdings Corporation; Incyte Corporation

US Patent


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


US Patent US9730939 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM261312
PNG
(US10092570, Example 341 | US9707233, 341 | US97309...)
Show SMILES CCOc1c(cc(Cl)c(C#N)c1N1CC(COC)C1)C(C)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C22H26ClN7O2/c1-5-32-20-15(13(3)30-22-18(12(2)28-30)21(25)26-11-27-22)6-17(23)16(7-24)19(20)29-8-14(9-29)10-31-4/h6,11,13-14H,5,8-10H2,1-4H3,(H2,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/a6.725



Incyte Holdings Corporation; Incyte Corporation

US Patent


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


US Patent US10092570 (2018)

More data for this
Ligand-Target Pair